@MOLECULE (2s)-2-bromooctanoic acid 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.6971 0.8521 -0.0264 Br 1 UNL1111111111 -0.0642 2 O -1.4673 -2.3883 -0.8585 O.3 1 UNL1111111111 -0.5571 3 O -1.1626 -1.8597 1.2887 O.2 1 UNL1111111111 -0.4663 4 C 2.6842 0.6438 0.2008 C.3 1 UNL1111111111 -0.2693 5 C 1.4492 -0.1679 -0.2082 C.3 1 UNL1111111111 -0.2740 6 C 3.9677 -0.1127 -0.1671 C.3 1 UNL1111111111 -0.2709 7 C 0.1581 0.5700 0.1784 C.3 1 UNL1111111111 -0.2810 8 C 5.2085 0.7135 0.1969 C.3 1 UNL1111111111 -0.2525 9 C -1.0468 -0.1300 -0.4348 C.3 1 UNL1111111111 -0.1662 10 C 6.4886 -0.0398 -0.1643 C.3 1 UNL1111111111 -0.4397 11 C -1.2231 -1.5050 0.1443 C.2 1 UNL1111111111 0.6154 12 H 2.6734 1.6323 -0.2956 H 1 UNL1111111111 0.1371 13 H 2.6654 0.8479 1.2878 H 1 UNL1111111111 0.1415 14 H 1.4731 -0.3600 -1.2965 H 1 UNL1111111111 0.1420 15 H 1.4771 -1.1621 0.2804 H 1 UNL1111111111 0.1485 16 H 3.9961 -1.0876 0.3561 H 1 UNL1111111111 0.1398 17 H 3.9760 -0.3486 -1.2474 H 1 UNL1111111111 0.1367 18 H 0.0711 0.6162 1.2856 H 1 UNL1111111111 0.1713 19 H 0.2101 1.6244 -0.1627 H 1 UNL1111111111 0.1610 20 H 5.2020 0.9506 1.2777 H 1 UNL1111111111 0.1354 21 H 5.1830 1.6874 -0.3271 H 1 UNL1111111111 0.1331 22 H -0.9817 -0.1587 -1.5481 H 1 UNL1111111111 0.1930 23 H 6.5357 -0.2600 -1.2365 H 1 UNL1111111111 0.1424 24 H 7.3791 0.5456 0.0906 H 1 UNL1111111111 0.1414 25 H 6.5574 -0.9932 0.3716 H 1 UNL1111111111 0.1438 26 H -1.6142 -3.3163 -0.5462 H 1 UNL1111111111 0.3588 @BOND 1 1 9 1 2 2 11 1 3 2 26 1 4 3 11 2 5 4 5 1 6 4 6 1 7 4 12 1 8 4 13 1 9 5 7 1 10 5 14 1 11 5 15 1 12 6 8 1 13 6 16 1 14 6 17 1 15 7 9 1 16 7 18 1 17 7 19 1 18 8 10 1 19 8 20 1 20 8 21 1 21 9 11 1 22 9 22 1 23 10 23 1 24 10 24 1 25 10 25 1